SCHEMBL8527159

SCHEMBL8527159

CCCCCCCCCc1ccnc(N)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.61
NOS1 P29475 1/20 0.61
NOS2 P35228 1/20 0.61
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTR2A P28223 1/20 0.47
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRG2 P18507 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5749578 1.00 NOS3 (0.61) NOS3NOS1NOS2KDM4EALDH1A1
SCHEMBL5744814 1.00 NOS3 (0.61) NOS3NOS1NOS2KDM4EALDH1A1
SCHEMBL11553700 1.00 NOS3 (0.61) NOS3NOS1NOS2KDM4EALDH1A1
SCHEMBL19309208 1.00 NOS3 (0.61) NOS3NOS1NOS2KDM4EALDH1A1
SCHEMBL3443609 1.00 NOS3 (0.61) NOS3NOS1NOS2KDM4EALDH1A1
SCHEMBL5746040 1.00 NOS3 (0.61) NOS3NOS1NOS2KDM4EALDH1A1
SCHEMBL27678823 1.00 NOS3 (0.61) NOS3NOS1NOS2KDM4EALDH1A1
SCHEMBL729575 0.98 NOS3 (0.63) NOS3NOS1NOS2KDM4EALDH1A1
SCHEMBL6938337 0.93 NOS2 (0.66) NOS3NOS1NOS2KDM4EALDH1A1
SCHEMBL105611 0.85 NOS2 (0.70) NOS3NOS1NOS2KDM4EHSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5808081-A USING PRESSURIZES AMMONIA GAS REILLY INDUSTRIES, INC. (US) 1998-09-15 US disclosed
EP-0766675-A4 IMPROVED CHICHIBABIN AMINATIONS OF PYRIDINE BASES REILLY IND INC (US) 1997-09-24 EP disclosed
CN-1156990-A Improved chichibabin aminations of pyridine bases REILLY IND INC (US) 1997-08-13 CN disclosed
EP-0766675-A1 IMPROVED CHICHIBABIN AMINATIONS OF PYRIDINE BASES REILLY INDUSTRIES, INC. (US) 1997-04-09 EP disclosed
WO-1996000216-A1 IMPROVED CHICHIBABIN AMINATIONS OF PYRIDINE BASES REILLY INDUSTRIES, INC. (US) 1996-01-04 WO disclosed
US-5003069-A Chichibabin reaction REILLY INDUSTRIES, INC. (US) 1991-03-26 US disclosed
US-4620033-A CATALYST OF NICKEL COMPOUND, IODIDE COMPOUND AND PROMOTER OF TIN COMPOUND AND LITHIUM COMPOUND MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1986-10-28 US disclosed
US-4544511-A CATALYST CONTAINING NICKEL, HALIDES AND ORGANIC NITROGEN COMPOUND;COCATALYST OF METAL COMPOUND MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1985-10-01 US disclosed
EP-0065817-B1 PROCESS FOR PRODUCING CARBOXYLIC ACIDS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1985-07-24 EP disclosed
EP-0035860-B1 PROCESS FOR PRODUCING ETHYLIDENE DIACETATE AND/OR ACETALDEHYDE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1984-03-14 EP disclosed
EP-0048174-B1 PROCESS FOR PRODUCING VINYL ACETATE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1984-02-22 EP disclosed
EP-0098684-A2 Modified chichibabin reaction, and novel pyridine derivatives REILLY INDUSTRIES, INC. (US) 1984-01-18 EP disclosed
US-4386209-A Chichibabin reaction REILLY TAR & CHEMICAL CORPORATION (US) 1983-05-31 US disclosed
EP-0065817-A1 Process for producing carboxylic acids MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1982-12-01 EP disclosed
EP-0055622-A1 Process for producing acetic anhydride MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1982-07-07 EP disclosed
EP-0048174-A1 Process for producing vinyl acetate MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1982-03-24 EP disclosed
EP-0035860-A2 Process for producing ethylidene diacetate and/or acetaldehyde MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1981-09-16 EP disclosed
US-4267335-A Substituted 2,2'-bipyridyl compounds and process for preparing same REILLY TAR & CHEMICAL CORPORATION (US) 1981-05-12 US disclosed
US-4177349-A BY-PRODUCT INHIBITION REILLY TAR & CHEMICAL CORPORATION (US) 1979-12-04 US disclosed